(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal

C16H36O3Si2 — CID 10735363

IUPAC(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OC[C@H](CC=O)O[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H36O3Si2/c1-13(2)21(14(3)4,15(5)6)18-12-16(10-11-17)19-20(7,8)9/h11,13-16H,10,12H2,1-9H3/t16-/m0/s1
InChIKeyPRJPEVPJHJXNLB-INIZCTEOSA-N
MW332.63 g/mol
LogP4.99
Rot. Bonds10

About (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal

(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal (PubChem CID 10735363) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
PubChem CID10735363
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OC[C@H](CC=O)O[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H36O3Si2/c1-13(2)21(14(3)4,15(5)6)18-12-16(10-11-17)19-20(7,8)9/h11,13-16H,10,12H2,1-9H3/t16-/m0/s1
InChIKeyPRJPEVPJHJXNLB-INIZCTEOSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal
CID 23631392
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanal
CID 24806491
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651
(3R)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 134878763
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
CID 135014418
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865
D(-)-Erythrose, aldol, TMS
CID 91750474
(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal
CID 10938925
(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 11035400
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal
CID 11128184

Frequently Asked Questions

What is the IUPAC name of (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal (CID 10735363) is (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal is CC(C)[Si](OC[C@H](CC=O)O[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal?
The InChIKey is PRJPEVPJHJXNLB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-13(2)21(14(3)4,15(5)6)18-12-16(10-11-17)19-20(7,8)9/h11,13-16H,10,12H2,1-9H3/t16-/m0/s1.
What are the key properties of (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal?
(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal has a molecular weight of 332.63 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 10735363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).